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Home > Pyridines > 116169-80-3
116169-80-3 | Pyridinium, 1-(3,6,9,12,15,18,21,24-octaoxatetracont-1-yl)-
CAS No: 116169-80-3 Catalog No: AG000BT6 MDL No:
Product Description
Catalog Number:
AG000BT6
Chemical Name:
Pyridinium, 1-(3,6,9,12,15,18,21,24-octaoxatetracont-1-yl)-
CAS Number:
116169-80-3
Molecular Formula:
C37H70NO8+
Molecular Weight:
656.9536
IUPAC Name:
1-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium
InChI:
InChI=1S/C37H70NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-39-24-26-41-28-30-43-32-34-45-36-37-46-35-33-44-31-29-42-27-25-40-23-21-38-19-16-15-17-20-38/h15-17,19-20H,2-14,18,21-37H2,1H3/q+1
InChI Key:
TVBVLMCLUNHFBR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC[n+]1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.51g/mol
Formal Charge:
1
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
656.966g/mol
Monoisotopic Mass:
656.51g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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